1,3-bis(2,2-dimethylpropyl)benzene;1,4-bis(2,2-dimethylpropyl)benzene;4,4-bis(2,2-dimethylpropyl)oxane;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-6-(2,2-dimethylpropyl)pyrazine;2-tert-butyl-5-(2,2-dimethylpropyl)pyridine;2-tert-butyl-6-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)pyridine;2-tert-butyl-4-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-6-(2,2-dimethylpropyl)pyrimidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butylsulfinyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfonyl-4-(2,2-dimethylpropyl)benzene;N-(3,3-dimethylbutyl)-4-(2,2-dimethylpropyl)benzamide;1-[4-(2,2-dimethylpropyl)phenyl]-2,2-dimethylpropan-1-one

C233H386N14O6S2 — CID 158573856

IUPAC1,3-bis(2,2-dimethylpropyl)benzene;1,4-bis(2,2-dimethylpropyl)benzene;4,4-bis(2,2-dimethylpropyl)oxane;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-6-(2,2-dimethylpropyl)pyrazine;2-tert-butyl-5-(2,2-dimethylpropyl)pyridine;2-tert-butyl-6-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)pyridine;2-tert-butyl-4-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-6-(2,2-dimethylpropyl)pyrimidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butylsulfinyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfonyl-4-(2,2-dimethylpropyl)benzene;N-(3,3-dimethylbutyl)-4-(2,2-dimethylpropyl)benzamide;1-[4-(2,2-dimethylpropyl)phenyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)CC1(CC(C)(C)C)CCOCC1.CC(C)(C)CCNC(=O)c1ccc(CC(C)(C)C)cc1.CC(C)(C)Cc1cc(C(C)(C)C)ncn1.CC(C)(C)Cc1ccc(C(=O)C(C)(C)C)cc1.CC(C)(C)Cc1ccc(C(C)(C)C)cn1.CC(C)(C)Cc1ccc(C(C)(C)C)nc1.CC(C)(C)Cc1ccc(CC(C)(C)C)cc1.CC(C)(C)Cc1ccc(S(=O)(=O)C(C)(C)C)cc1.CC(C)(C)Cc1ccc(S(=O)C(C)(C)C)cc1.CC(C)(C)Cc1cccc(C(C)(C)C)c1.CC(C)(C)Cc1cccc(C(C)(C)C)n1.CC(C)(C)Cc1cccc(CC(C)(C)C)c1.CC(C)(C)Cc1ccnc(C(C)(C)C)n1.CC(C)(C)Cc1cncc(C(C)(C)C)n1.CC(C)(C)Cc1ncc(C(C)(C)C)cn1.CC(C)(C)Cc1nccc(C(C)(C)C)n1
InChIInChI=1S/C18H29NO.C16H24O.2C16H26.C15H24O2S.C15H24OS.C15H30O.C15H24.3C14H23N.5C13H22N2/c1-17(2,3)11-12-19-16(20)15-9-7-14(8-10-15)13-18(4,5)6;1-15(2,3)11-12-7-9-13(10-8-12)14(17)16(4,5)6;1-15(2,3)11-13-7-9-14(10-8-13)12-16(4,5)6;1-15(2,3)11-13-8-7-9-14(10-13)12-16(4,5)6;1-14(2,3)11-12-7-9-13(10-8-12)18(16,17)15(4,5)6;1-14(2,3)11-12-7-9-13(10-8-12)17(16)15(4,5)6;1-13(2,3)11-15(12-14(4,5)6)7-9-16-10-8-15;1-14(2,3)11-12-8-7-9-13(10-12)15(4,5)6;1-13(2,3)9-12-8-7-11(10-15-12)14(4,5)6;1-13(2,3)9-11-7-8-12(15-10-11)14(4,5)6;1-13(2,3)10-11-8-7-9-12(15-11)14(4,5)6;1-12(2,3)7-11-14-8-10(9-15-11)13(4,5)6;1-12(2,3)7-10-8-14-9-11(15-10)13(4,5)6;1-12(2,3)8-10-7-11(13(4,5)6)15-9-14-10;1-12(2,3)9-11-14-8-7-10(15-11)13(4,5)6;1-12(2,3)9-10-7-8-14-11(15-10)13(4,5)6/h7-10H,11-13H2,1-6H3,(H,19,20);7-10H,11H2,1-6H3;2*7-10H,11-12H2,1-6H3;7-10H,11H2,1-6H3;7-10H,11H2,1-6H3;7-12H2,1-6H3;7-10H,11H2,1-6H3;2*7-8,10H,9H2,1-6H3;7-9H,10H2,1-6H3;2*8-9H,7H2,1-6H3;7,9H,8H2,1-6H3;2*7-8H,9H2,1-6H3
InChIKeyHSKKZTRSTSWPLD-UHFFFAOYSA-N
MW3543.88 g/mol
LogP64.65
Rot. Bonds25

About 1,3-bis(2,2-dimethylpropyl)benzene;1,4-bis(2,2-dimethylpropyl)benzene;4,4-bis(2,2-dimethylpropyl)oxane;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-6-(2,2-dimethylpropyl)pyrazine;2-tert-butyl-5-(2,2-dimethylpropyl)pyridine;2-tert-butyl-6-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)pyridine;2-tert-butyl-4-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-6-(2,2-dimethylpropyl)pyrimidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butylsulfinyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfonyl-4-(2,2-dimethylpropyl)benzene;N-(3,3-dimethylbutyl)-4-(2,2-dimethylpropyl)benzamide;1-[4-(2,2-dimethylpropyl)phenyl]-2,2-dimethylpropan-1-one

1,3-bis(2,2-dimethylpropyl)benzene;1,4-bis(2,2-dimethylpropyl)benzene;4,4-bis(2,2-dimethylpropyl)oxane;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-6-(2,2-dimethylpropyl)pyrazine;2-tert-butyl-5-(2,2-dimethylpropyl)pyridine;2-tert-butyl-6-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)pyridine;2-tert-butyl-4-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-6-(2,2-dimethylpropyl)pyrimidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butylsulfinyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfonyl-4-(2,2-dimethylpropyl)benzene;N-(3,3-dimethylbutyl)-4-(2,2-dimethylpropyl)benzamide;1-[4-(2,2-dimethylpropyl)phenyl]-2,2-dimethylpropan-1-one (PubChem CID 158573856) has the molecular formula C233H386N14O6S2 and a molecular weight of 3543.88 g/mol. Its IUPAC name is 1,3-bis(2,2-dimethylpropyl)benzene;1,4-bis(2,2-dimethylpropyl)benzene;4,4-bis(2,2-dimethylpropyl)oxane;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-6-(2,2-dimethylpropyl)pyrazine;2-tert-butyl-5-(2,2-dimethylpropyl)pyridine;2-tert-butyl-6-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)pyridine;2-tert-butyl-4-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-6-(2,2-dimethylpropyl)pyrimidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butylsulfinyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfonyl-4-(2,2-dimethylpropyl)benzene;N-(3,3-dimethylbutyl)-4-(2,2-dimethylpropyl)benzamide;1-[4-(2,2-dimethylpropyl)phenyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1,3-bis(2,2-dimethylpropyl)benzene;1,4-bis(2,2-dimethylpropyl)benzene;4,4-bis(2,2-dimethylpropyl)oxane;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-6-(2,2-dimethylpropyl)pyrazine;2-tert-butyl-5-(2,2-dimethylpropyl)pyridine;2-tert-butyl-6-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)pyridine;2-tert-butyl-4-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-6-(2,2-dimethylpropyl)pyrimidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butylsulfinyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfonyl-4-(2,2-dimethylpropyl)benzene;N-(3,3-dimethylbutyl)-4-(2,2-dimethylpropyl)benzamide;1-[4-(2,2-dimethylpropyl)phenyl]-2,2-dimethylpropan-1-one
PubChem CID158573856
Molecular FormulaC233H386N14O6S2
Molecular Weight3543.88 g/mol
Exact Mass3540.98
IUPAC Name1,3-bis(2,2-dimethylpropyl)benzene;1,4-bis(2,2-dimethylpropyl)benzene;4,4-bis(2,2-dimethylpropyl)oxane;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-6-(2,2-dimethylpropyl)pyrazine;2-tert-butyl-5-(2,2-dimethylpropyl)pyridine;2-tert-butyl-6-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)pyridine;2-tert-butyl-4-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-6-(2,2-dimethylpropyl)pyrimidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butylsulfinyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfonyl-4-(2,2-dimethylpropyl)benzene;N-(3,3-dimethylbutyl)-4-(2,2-dimethylpropyl)benzamide;1-[4-(2,2-dimethylpropyl)phenyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)CC1(CC(C)(C)C)CCOCC1.CC(C)(C)CCNC(=O)c1ccc(CC(C)(C)C)cc1.CC(C)(C)Cc1cc(C(C)(C)C)ncn1.CC(C)(C)Cc1ccc(C(=O)C(C)(C)C)cc1.CC(C)(C)Cc1ccc(C(C)(C)C)cn1.CC(C)(C)Cc1ccc(C(C)(C)C)nc1.CC(C)(C)Cc1ccc(CC(C)(C)C)cc1.CC(C)(C)Cc1ccc(S(=O)(=O)C(C)(C)C)cc1.CC(C)(C)Cc1ccc(S(=O)C(C)(C)C)cc1.CC(C)(C)Cc1cccc(C(C)(C)C)c1.CC(C)(C)Cc1cccc(C(C)(C)C)n1.CC(C)(C)Cc1cccc(CC(C)(C)C)c1.CC(C)(C)Cc1ccnc(C(C)(C)C)n1.CC(C)(C)Cc1cncc(C(C)(C)C)n1.CC(C)(C)Cc1ncc(C(C)(C)C)cn1.CC(C)(C)Cc1nccc(C(C)(C)C)n1
InChIInChI=1S/C18H29NO.C16H24O.2C16H26.C15H24O2S.C15H24OS.C15H30O.C15H24.3C14H23N.5C13H22N2/c1-17(2,3)11-12-19-16(20)15-9-7-14(8-10-15)13-18(4,5)6;1-15(2,3)11-12-7-9-13(10-8-12)14(17)16(4,5)6;1-15(2,3)11-13-7-9-14(10-8-13)12-16(4,5)6;1-15(2,3)11-13-8-7-9-14(10-13)12-16(4,5)6;1-14(2,3)11-12-7-9-13(10-8-12)18(16,17)15(4,5)6;1-14(2,3)11-12-7-9-13(10-8-12)17(16)15(4,5)6;1-13(2,3)11-15(12-14(4,5)6)7-9-16-10-8-15;1-14(2,3)11-12-8-7-9-13(10-12)15(4,5)6;1-13(2,3)9-12-8-7-11(10-15-12)14(4,5)6;1-13(2,3)9-11-7-8-12(15-10-11)14(4,5)6;1-13(2,3)10-11-8-7-9-12(15-11)14(4,5)6;1-12(2,3)7-11-14-8-10(9-15-11)13(4,5)6;1-12(2,3)7-10-8-14-9-11(15-10)13(4,5)6;1-12(2,3)8-10-7-11(13(4,5)6)15-9-14-10;1-12(2,3)9-11-14-8-7-10(15-11)13(4,5)6;1-12(2,3)9-10-7-8-14-11(15-10)13(4,5)6/h7-10H,11-13H2,1-6H3,(H,19,20);7-10H,11H2,1-6H3;2*7-10H,11-12H2,1-6H3;7-10H,11H2,1-6H3;7-10H,11H2,1-6H3;7-12H2,1-6H3;7-10H,11H2,1-6H3;2*7-8,10H,9H2,1-6H3;7-9H,10H2,1-6H3;2*8-9H,7H2,1-6H3;7,9H,8H2,1-6H3;2*7-8H,9H2,1-6H3
InChIKeyHSKKZTRSTSWPLD-UHFFFAOYSA-N
XLogP64.65
TPSA274.18 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms255
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003543.88
LogP ≤ 564.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 1,3-bis(2,2-dimethylpropyl)benzene;1,4-bis(2,2-dimethylpropyl)benzene;4,4-bis(2,2-dimethylpropyl)oxane;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-6-(2,2-dimethylpropyl)pyrazine;2-tert-butyl-5-(2,2-dimethylpropyl)pyridine;2-tert-butyl-6-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)pyridine;2-tert-butyl-4-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-6-(2,2-dimethylpropyl)pyrimidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butylsulfinyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfonyl-4-(2,2-dimethylpropyl)benzene;N-(3,3-dimethylbutyl)-4-(2,2-dimethylpropyl)benzamide;1-[4-(2,2-dimethylpropyl)phenyl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

N-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(8-oxodecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide
CID 163891494
N-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide
CID 164013464
1,3-Bis(2,2-dimethylpropyl)benzene;1,4-bis(2,2-dimethylpropyl)benzene;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-6-(2,2-dimethylpropyl)pyrazine;2-tert-butyl-5-(2,2-dimethylpropyl)pyridine;2-tert-butyl-6-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)pyridine;2-tert-butyl-4-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-6-(2,2-dimethylpropyl)pyrimidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butylsulfinyl-4-(2,2-dimethylpropyl)benzene;1-[4-(2,2-dimethylpropyl)phenyl]-2,2-dimethylpropan-1-one
CID 158119512
4-tert-butyl-N-[5-[6-(dimethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;4-tert-butyl-N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;4-tert-butyl-N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;4-tert-butyl-N-[2-oxo-5-(4-sulfamoylphenyl)-1H-pyridin-3-yl]benzamide;ethyl 4-[[4-[5-[(4-tert-butylbenzoyl)amino]-6-oxo-1H-pyridin-3-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 158885614
3-diazo-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pentane-2,4-dione;1-[4-(ethenylsulfonylmethyl)phenyl]-2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]ethanone;(E)-5-methoxy-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pent-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]-1-[4-[[(E)-prop-1-enyl]sulfonylmethyl]phenyl]ethanone
CID 158944884
8-(2-amino-4-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(2-ethyl-4-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-8-(5-methylsulfonyl-3-pyridinyl)-2-phenylisoquinolin-1-one;N-[5-[3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-1-oxo-2-phenylisoquinolin-8-yl]-3-pyridinyl]methanesulfonamide
CID 160423337
3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-8-(3-methylsulfonylphenyl)-2-phenylisoquinolin-1-one;3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-8-(4-methylsulfonylphenyl)-2-phenylisoquinolin-1-one;3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-8-(6-oxo-1H-pyridin-3-yl)-2-phenylisoquinolin-1-one
CID 160707902
1,3-bis(2,2-dimethylpropyl)benzene;1,4-bis(2,2-dimethylpropyl)benzene;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-6-(2,2-dimethylpropyl)pyrazine;2-tert-butyl-5-(2,2-dimethylpropyl)pyridine;2-tert-butyl-6-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)pyridine;2-tert-butyl-4-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-6-(2,2-dimethylpropyl)pyrimidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butylsulfinyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfonyl-4-(2,2-dimethylpropyl)benzene;N-(3,3-dimethylbutyl)-4-(2,2-dimethylpropyl)benzamide;1-[4-(2,2-dimethylpropyl)phenyl]-2,2-dimethylpropan-1-one
CID 160739705
3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(4-methylphenyl)-4-propan-2-yl-1H-pyrimidin-6-one;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethenamine;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine
CID 161764088
1-Cyclopropyl-2-methylpropan-1-one;2,4-dimethyl-2-phenylpentan-3-one;2-ethylsulfonylpropane;3-methylbutylbenzene;3-methylbutylcyclohexane;4-(3-methylbutyl)morpholine;4-(3-methylbutyl)oxane;1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyridine;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;2-(3-methylbutyl)pyrimidine;4-(3-methylbutyl)pyrimidine;4-(3-methylbutyl)thiane;3-methyl-1-phenylbutan-2-one;2-methyl-1-phenylpropan-1-one;propan-2-ylsulfonylbenzene;propan-2-ylsulfonylcyclopropane;propan-2-ylsulfonylmethylbenzene
CID 167671330

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,2-dimethylpropyl)benzene;1,4-bis(2,2-dimethylpropyl)benzene;4,4-bis(2,2-dimethylpropyl)oxane;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-6-(2,2-dimethylpropyl)pyrazine;2-tert-butyl-5-(2,2-dimethylpropyl)pyridine;2-tert-butyl-6-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)pyridine;2-tert-butyl-4-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-6-(2,2-dimethylpropyl)pyrimidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butylsulfinyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfonyl-4-(2,2-dimethylpropyl)benzene;N-(3,3-dimethylbutyl)-4-(2,2-dimethylpropyl)benzamide;1-[4-(2,2-dimethylpropyl)phenyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1,3-bis(2,2-dimethylpropyl)benzene;1,4-bis(2,2-dimethylpropyl)benzene;4,4-bis(2,2-dimethylpropyl)oxane;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-6-(2,2-dimethylpropyl)pyrazine;2-tert-butyl-5-(2,2-dimethylpropyl)pyridine;2-tert-butyl-6-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)pyridine;2-tert-butyl-4-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-6-(2,2-dimethylpropyl)pyrimidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butylsulfinyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfonyl-4-(2,2-dimethylpropyl)benzene;N-(3,3-dimethylbutyl)-4-(2,2-dimethylpropyl)benzamide;1-[4-(2,2-dimethylpropyl)phenyl]-2,2-dimethylpropan-1-one (CID 158573856) is 1,3-bis(2,2-dimethylpropyl)benzene;1,4-bis(2,2-dimethylpropyl)benzene;4,4-bis(2,2-dimethylpropyl)oxane;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-6-(2,2-dimethylpropyl)pyrazine;2-tert-butyl-5-(2,2-dimethylpropyl)pyridine;2-tert-butyl-6-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)pyridine;2-tert-butyl-4-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-6-(2,2-dimethylpropyl)pyrimidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butylsulfinyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfonyl-4-(2,2-dimethylpropyl)benzene;N-(3,3-dimethylbutyl)-4-(2,2-dimethylpropyl)benzamide;1-[4-(2,2-dimethylpropyl)phenyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1,3-bis(2,2-dimethylpropyl)benzene;1,4-bis(2,2-dimethylpropyl)benzene;4,4-bis(2,2-dimethylpropyl)oxane;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-6-(2,2-dimethylpropyl)pyrazine;2-tert-butyl-5-(2,2-dimethylpropyl)pyridine;2-tert-butyl-6-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)pyridine;2-tert-butyl-4-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-6-(2,2-dimethylpropyl)pyrimidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butylsulfinyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfonyl-4-(2,2-dimethylpropyl)benzene;N-(3,3-dimethylbutyl)-4-(2,2-dimethylpropyl)benzamide;1-[4-(2,2-dimethylpropyl)phenyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1,3-bis(2,2-dimethylpropyl)benzene;1,4-bis(2,2-dimethylpropyl)benzene;4,4-bis(2,2-dimethylpropyl)oxane;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-6-(2,2-dimethylpropyl)pyrazine;2-tert-butyl-5-(2,2-dimethylpropyl)pyridine;2-tert-butyl-6-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)pyridine;2-tert-butyl-4-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-6-(2,2-dimethylpropyl)pyrimidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butylsulfinyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfonyl-4-(2,2-dimethylpropyl)benzene;N-(3,3-dimethylbutyl)-4-(2,2-dimethylpropyl)benzamide;1-[4-(2,2-dimethylpropyl)phenyl]-2,2-dimethylpropan-1-one is CC(C)(C)CC1(CC(C)(C)C)CCOCC1.CC(C)(C)CCNC(=O)c1ccc(CC(C)(C)C)cc1.CC(C)(C)Cc1cc(C(C)(C)C)ncn1.CC(C)(C)Cc1ccc(C(=O)C(C)(C)C)cc1.CC(C)(C)Cc1ccc(C(C)(C)C)cn1.CC(C)(C)Cc1ccc(C(C)(C)C)nc1.CC(C)(C)Cc1ccc(CC(C)(C)C)cc1.CC(C)(C)Cc1ccc(S(=O)(=O)C(C)(C)C)cc1.CC(C)(C)Cc1ccc(S(=O)C(C)(C)C)cc1.CC(C)(C)Cc1cccc(C(C)(C)C)c1.CC(C)(C)Cc1cccc(C(C)(C)C)n1.CC(C)(C)Cc1cccc(CC(C)(C)C)c1.CC(C)(C)Cc1ccnc(C(C)(C)C)n1.CC(C)(C)Cc1cncc(C(C)(C)C)n1.CC(C)(C)Cc1ncc(C(C)(C)C)cn1.CC(C)(C)Cc1nccc(C(C)(C)C)n1.
What is the InChIKey of 1,3-bis(2,2-dimethylpropyl)benzene;1,4-bis(2,2-dimethylpropyl)benzene;4,4-bis(2,2-dimethylpropyl)oxane;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-6-(2,2-dimethylpropyl)pyrazine;2-tert-butyl-5-(2,2-dimethylpropyl)pyridine;2-tert-butyl-6-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)pyridine;2-tert-butyl-4-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-6-(2,2-dimethylpropyl)pyrimidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butylsulfinyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfonyl-4-(2,2-dimethylpropyl)benzene;N-(3,3-dimethylbutyl)-4-(2,2-dimethylpropyl)benzamide;1-[4-(2,2-dimethylpropyl)phenyl]-2,2-dimethylpropan-1-one?
The InChIKey is HSKKZTRSTSWPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO.C16H24O.2C16H26.C15H24O2S.C15H24OS.C15H30O.C15H24.3C14H23N.5C13H22N2/c1-17(2,3)11-12-19-16(20)15-9-7-14(8-10-15)13-18(4,5)6;1-15(2,3)11-12-7-9-13(10-8-12)14(17)16(4,5)6;1-15(2,3)11-13-7-9-14(10-8-13)12-16(4,5)6;1-15(2,3)11-13-8-7-9-14(10-13)12-16(4,5)6;1-14(2,3)11-12-7-9-13(10-8-12)18(16,17)15(4,5)6;1-14(2,3)11-12-7-9-13(10-8-12)17(16)15(4,5)6;1-13(2,3)11-15(12-14(4,5)6)7-9-16-10-8-15;1-14(2,3)11-12-8-7-9-13(10-12)15(4,5)6;1-13(2,3)9-12-8-7-11(10-15-12)14(4,5)6;1-13(2,3)9-11-7-8-12(15-10-11)14(4,5)6;1-13(2,3)10-11-8-7-9-12(15-11)14(4,5)6;1-12(2,3)7-11-14-8-10(9-15-11)13(4,5)6;1-12(2,3)7-10-8-14-9-11(15-10)13(4,5)6;1-12(2,3)8-10-7-11(13(4,5)6)15-9-14-10;1-12(2,3)9-11-14-8-7-10(15-11)13(4,5)6;1-12(2,3)9-10-7-8-14-11(15-10)13(4,5)6/h7-10H,11-13H2,1-6H3,(H,19,20);7-10H,11H2,1-6H3;2*7-10H,11-12H2,1-6H3;7-10H,11H2,1-6H3;7-10H,11H2,1-6H3;7-12H2,1-6H3;7-10H,11H2,1-6H3;2*7-8,10H,9H2,1-6H3;7-9H,10H2,1-6H3;2*8-9H,7H2,1-6H3;7,9H,8H2,1-6H3;2*7-8H,9H2,1-6H3.
What are the key properties of 1,3-bis(2,2-dimethylpropyl)benzene;1,4-bis(2,2-dimethylpropyl)benzene;4,4-bis(2,2-dimethylpropyl)oxane;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-6-(2,2-dimethylpropyl)pyrazine;2-tert-butyl-5-(2,2-dimethylpropyl)pyridine;2-tert-butyl-6-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)pyridine;2-tert-butyl-4-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-6-(2,2-dimethylpropyl)pyrimidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butylsulfinyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfonyl-4-(2,2-dimethylpropyl)benzene;N-(3,3-dimethylbutyl)-4-(2,2-dimethylpropyl)benzamide;1-[4-(2,2-dimethylpropyl)phenyl]-2,2-dimethylpropan-1-one?
1,3-bis(2,2-dimethylpropyl)benzene;1,4-bis(2,2-dimethylpropyl)benzene;4,4-bis(2,2-dimethylpropyl)oxane;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-6-(2,2-dimethylpropyl)pyrazine;2-tert-butyl-5-(2,2-dimethylpropyl)pyridine;2-tert-butyl-6-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)pyridine;2-tert-butyl-4-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-6-(2,2-dimethylpropyl)pyrimidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butylsulfinyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfonyl-4-(2,2-dimethylpropyl)benzene;N-(3,3-dimethylbutyl)-4-(2,2-dimethylpropyl)benzamide;1-[4-(2,2-dimethylpropyl)phenyl]-2,2-dimethylpropan-1-one has a molecular weight of 3543.88 g/mol, XLogP of 64.65, 25 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,2-dimethylpropyl)benzene;1,4-bis(2,2-dimethylpropyl)benzene;4,4-bis(2,2-dimethylpropyl)oxane;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-6-(2,2-dimethylpropyl)pyrazine;2-tert-butyl-5-(2,2-dimethylpropyl)pyridine;2-tert-butyl-6-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)pyridine;2-tert-butyl-4-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;4-tert-butyl-6-(2,2-dimethylpropyl)pyrimidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butylsulfinyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfonyl-4-(2,2-dimethylpropyl)benzene;N-(3,3-dimethylbutyl)-4-(2,2-dimethylpropyl)benzamide;1-[4-(2,2-dimethylpropyl)phenyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 158573856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).